2-amino-4-(2H-1,3-benzodioxol-5-yl)-5,10-dioxo-5,10-dihydro-4H-naphtho[2,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-5,10-dioxo-5,10-dihydro-4H-naphtho[2,3-b]pyran-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-5,10-dioxo-5,10-dihydro-4H-naphtho[2,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-2037 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5,10-dioxo-5,10-dihydro-4H-naphtho[2,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 372.34 |
| Molecular Formula: | C21 H12 N2 O5 |
| Smiles: | C1Oc2ccc(cc2O1)C1C(C#N)=C(N)OC2=C1C(c1ccccc1C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4959 |
| logD: | 2.4959 |
| logSw: | -3.1727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.107 |
| InChI Key: | HUTQKRGXCYIZJB-INIZCTEOSA-N |